CID 11040985

2-ethoxy-4,6-difluoropyrimidine

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
CCOC1=NC(=CC(=N1)F)F
InChI
InChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
InChIKey
SGVUAJWRAOSPNC-UHFFFAOYSA-N
Compound name
2-ethoxy-4,6-difluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

160.04482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05210 126.8
[M+Na]+ 183.03404 137.5
[M-H]- 159.03754 125.7
[M+NH4]+ 178.07864 145.4
[M+K]+ 199.00798 135.7
[M+H-H2O]+ 143.04208 118.2
[M+HCOO]- 205.04302 147.8
[M+CH3COO]- 219.05867 177.4
[M+Na-2H]- 181.01949 134.1
[M]+ 160.04427 126.6
[M]- 160.04537 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe